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3-(1,1,2,2,2-pentafluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID 1J15CMDBmPU
InChI InChI=1S/C15H13F5N6/c16-14(17,15(18,19)20)13-23-22-11-9-3-1-2-4-10(9)12(24-26(11)13)25-7-5-21-6-8-25/h1-4,21H,5-8H2
InChIKey IQAANPKCWBCMTP-UHFFFAOYSA-N
Mol Weight 372.3 g/mol
Molecular Formula C15H13F5N6
Exact Mass 372.112185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dmPGMBVxb5
Name 3-(1,1,2,2,2-pentafluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Alternate Name(s) 3-(1,1,2,2,2-pentafluoroethyl)-6-piperazino-[1,2,4]triazolo[3,4-a]phthalazine 3-Pentafluoroethyl-6-piperazin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine 3-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-6-piperazin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
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Formula C15H13F5N6
InChI InChI=1S/C15H13F5N6/c16-14(17,15(18,19)20)13-23-22-11-9-3-1-2-4-10(9)12(24-26(11)13)25-7-5-21-6-8-25/h1-4,21H,5-8H2
InChIKey IQAANPKCWBCMTP-UHFFFAOYSA-N
Molecular Weight 372.303 g/mol
SMILES N1CCN(CC1)C1=N[n]2c(C(C(F)(F)F)(F)F)nnc2-c2ccccc12
SPLASH splash10-0ap0-9112000000-597965b6b09916038f40
Wiley ID 1466613